./iterations/neb1_max2_image01_iter19_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.409527371156E+03    0.40953E+03   -0.15908E+04   424   0.706E+02 
DAV:   2    -0.103605129023E+02   -0.41989E+03   -0.40111E+03   601   0.166E+02 
DAV:   3    -0.140888876419E+03   -0.13053E+03   -0.12990E+03   552   0.982E+01 
DAV:   4    -0.148835903249E+03   -0.79470E+01   -0.79324E+01   464   0.298E+01 
DAV:   5    -0.149029160304E+03   -0.19326E+00   -0.19315E+00   528   0.442E+00    0.249E+01
DAV:   6    -0.136599136453E+03    0.12430E+02   -0.36514E+01   457   0.257E+01    0.132E+01
DAV:   7    -0.135087877631E+03    0.15113E+01   -0.47896E+00   496   0.903E+00    0.597E+00
DAV:   8    -0.134463134975E+03    0.62474E+00   -0.87529E-01   488   0.429E+00    0.213E+00
DAV:   9    -0.134289934906E+03    0.17320E+00   -0.27467E-01   480   0.214E+00    0.573E-01
DAV:  10    -0.134265036310E+03    0.24899E-01   -0.68886E-02   488   0.111E+00    0.403E-01
DAV:  11    -0.134256376474E+03    0.86598E-02   -0.12165E-02   472   0.551E-01    0.176E-01
DAV:  12    -0.134253116196E+03    0.32603E-02   -0.67848E-03   456   0.358E-01    0.140E-01
DAV:  13    -0.134256129833E+03   -0.30136E-02   -0.49783E-03   505   0.386E-01    0.991E-02
DAV:  14    -0.134262868577E+03   -0.67387E-02   -0.32330E-03   456   0.247E-01    0.869E-02
DAV:  15    -0.134267903013E+03   -0.50344E-02   -0.18569E-03   504   0.199E-01    0.452E-02
DAV:  16    -0.134271707561E+03   -0.38045E-02   -0.71373E-04   456   0.113E-01    0.524E-02
DAV:  17    -0.134273653508E+03   -0.19459E-02   -0.12694E-04   496   0.499E-02    0.365E-02
DAV:  18    -0.134276561377E+03   -0.29079E-02   -0.61522E-04   520   0.984E-02    0.227E-02
DAV:  19    -0.134277137308E+03   -0.57593E-03   -0.71524E-05   472   0.445E-02    0.148E-02
DAV:  20    -0.134277660554E+03   -0.52325E-03   -0.60512E-05   464   0.293E-02    0.949E-03
DAV:  21    -0.134278189347E+03   -0.52879E-03   -0.36843E-05   409   0.214E-02    0.583E-03
DAV:  22    -0.134278353103E+03   -0.16376E-03   -0.12430E-05   336   0.143E-02    0.262E-03
DAV:  23    -0.134278409454E+03   -0.56351E-04   -0.72354E-06   336   0.111E-02    0.411E-03
DAV:  24    -0.134278456848E+03   -0.47394E-04   -0.45166E-06   313   0.883E-03    0.235E-03
DAV:  25    -0.134278464424E+03   -0.75763E-05   -0.29037E-06   344   0.737E-03 
   1 F= -.13427846E+03 E0= -.13428444E+03  d E =0.179336E-01